SCHEMBL11646426

SCHEMBL11646426

CC(COc1ccc(Cl)cc1-c1ccccc1)OS(=O)OC(C)COc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.54
▸ SLC6A9 P48067 2/20 0.41
▸ PTGER1 P34995 8/20 0.40
▸ SCN4A P35499 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ EIF4EBP1 Q13541 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11646275 0.90 PTGDR2 (0.55) PTGDR2SLC6A9PTGER1SCN4AHTR1A
SCHEMBL11649321 0.84 ADRB2 (0.48) HTR1AHTR7
SCHEMBL11649623 0.81 XDH (0.41) SLC6A9
SCHEMBL11619019 0.79 PTGDR2 (0.56) PTGDR2SLC6A9PTGER1SCN4AHTR1A
Bromide SCHEMBL11618683 0.74 PTGDR2 (0.51) PTGDR2SLC6A9PTGER1SCN4AHTR1A
SCHEMBL11649316 0.73 ADRB2 (0.48) HTR7
SCHEMBL11649163 0.72 MAPT (0.48) CYP2C9
SCHEMBL11647256 0.72 MAOB (0.41) HTR1AHTR7
SCHEMBL16150998 0.71 PTGDR2 (0.53) PTGDR2SLC6A9
SCHEMBL11649620 0.71 XDH (0.42) SLC6A9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4104401-A Control of insects and acarids with alkynyl phenylphenol divalent aliphatic sulfites UNIROYAL, INC. (US) 1978-08-01 — — US disclosed
US-4003940-A INSECTICIDES, ACARICIDES UNIROYAL INC. (US) 1977-01-18 — — US disclosed
Send feedback